General Information of the Compound
| Compound ID |
CP0578837
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| Compound Name |
1-[[6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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| Structure |
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| Formula |
C22H29N5O4S
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| Molecular Weight |
459.572
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| Canonical SMILES |
CN(C)CC1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C22H29N5O4S/c1-26(2)11-14-12-27-21(31-13-14)19(10-23-27)32(29,30)25-22(28)24-20-17-7-3-5-15(17)9-16-6-4-8-18(16)20/h9-10,14H,3-8,11-13H2,1-2H3,(H2,24,25,28)
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| InChIKey |
QTUMMRJKZUHCTH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound